UPCMLD0ENAT5792150:001
TL;DR: UPCMLD0ENAT5792150:001 (CAS 304683-96-3) is a chemical compound with molecular formula C19H22N2O4S2 and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate
Also Known As: UPCMLD0ENAT5792150:001, F0307-0349, ethyl 3-oxo-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate, ethyl 4-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-3-oxobutanoate, ethyl 3-oxo-4-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}butanoate
| Molecular Formula | C19H22N2O4S2 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 3.1372 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.1021 |
| Heavy Atoms | 27 |
| Complexity | 945.31323 |
Chemical Identifiers
| CAS Number | 304683-96-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC=C |
Product Overview
UPCMLD0ENAT5792150:001 (CAS 304683-96-3), with molecular formula C19H22N2O4S2 and molecular weight 406.10 g/mol. IUPAC: ethyl 3-oxo-4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate.
Chemical Property Profile of UPCMLD0ENAT5792150:001
Property Insights of UPCMLD0ENAT5792150:001
The XLogP value of 3.1372 indicates that UPCMLD0ENAT5792150:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5792150:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5792150:001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5792150:001?
The CAS number of UPCMLD0ENAT5792150:001 is 304683-96-3.
What is the molecular formula of UPCMLD0ENAT5792150:001?
The molecular formula of UPCMLD0ENAT5792150:001 is C19H22N2O4S2.
What is the molecular weight of UPCMLD0ENAT5792150:001?
The molecular weight of UPCMLD0ENAT5792150:001 is 406.10 g/mol.
Where can I buy UPCMLD0ENAT5792150:001?
You can request a quote for UPCMLD0ENAT5792150:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5792150:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5792150:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.